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6-Methyl-4-chromanone

CAT: 0013-GTR19251278-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251278-01Size:200 mg
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Description
6-Methyl-4-chromanone
CAS Number
39513-75-2
Purity
>99.99% (May vary between batches)
Smiles
Cc1ccc2OCCC (=O) c2c1
Molecular Formula
C10H10O2
Molecular Weight
162.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Methyl-4-chromanone

6-Methyl-4-chromanone has been reported in Aegle marmelos with data available.

CAS Number39513-75-2
PubChem CID584354
IUPAC Name6-methyl-2,3-dihydrochromen-4-one
Molecular FormulaC10H10O2
Molecular Weight162.18
XLogP1.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity188
SMILES
CC1=CC2=C(C=C1)OCCC2=O
InChI
InChI=1S/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3
InChIKey
RJHXEPLSJAVTFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-4-chromanone
CAS: 39513-75-2
CID: 584354
Formula: C10H10O2
MW: 162.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.18
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass162.068079557
Monoisotopic Mass162.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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